6-fluoro-2-oxo-1H-quinoline-3-carbonitrile

C10H5FN2O — CID 22690302

IUPAC6-fluoro-2-oxo-1H-quinoline-3-carbonitrile
SMILESN#Cc1cc2cc(F)ccc2[nH]c1=O
InChIInChI=1S/C10H5FN2O/c11-8-1-2-9-6(4-8)3-7(5-12)10(14)13-9/h1-4H,(H,13,14)
InChIKeyVVAIURODRBVURY-UHFFFAOYSA-N
MW188.16 g/mol
LogP1.54
Rot. Bonds

About 6-fluoro-2-oxo-1H-quinoline-3-carbonitrile

6-fluoro-2-oxo-1H-quinoline-3-carbonitrile (PubChem CID 22690302) has the molecular formula C10H5FN2O and a molecular weight of 188.16 g/mol. Its IUPAC name is 6-fluoro-2-oxo-1H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-fluoro-2-oxo-1H-quinoline-3-carbonitrile
PubChem CID22690302
Molecular FormulaC10H5FN2O
Molecular Weight188.16 g/mol
Exact Mass188.04
IUPAC Name6-fluoro-2-oxo-1H-quinoline-3-carbonitrile
SMILESN#Cc1cc2cc(F)ccc2[nH]c1=O
InChIInChI=1S/C10H5FN2O/c11-8-1-2-9-6(4-8)3-7(5-12)10(14)13-9/h1-4H,(H,13,14)
InChIKeyVVAIURODRBVURY-UHFFFAOYSA-N
XLogP1.54
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.16
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-oxo-1H-quinoline-3-carbonitrile?
The IUPAC name of 6-fluoro-2-oxo-1H-quinoline-3-carbonitrile (CID 22690302) is 6-fluoro-2-oxo-1H-quinoline-3-carbonitrile.
What is the SMILES notation for 6-fluoro-2-oxo-1H-quinoline-3-carbonitrile?
The canonical SMILES for 6-fluoro-2-oxo-1H-quinoline-3-carbonitrile is N#Cc1cc2cc(F)ccc2[nH]c1=O.
What is the InChIKey of 6-fluoro-2-oxo-1H-quinoline-3-carbonitrile?
The InChIKey is VVAIURODRBVURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5FN2O/c11-8-1-2-9-6(4-8)3-7(5-12)10(14)13-9/h1-4H,(H,13,14).
What are the key properties of 6-fluoro-2-oxo-1H-quinoline-3-carbonitrile?
6-fluoro-2-oxo-1H-quinoline-3-carbonitrile has a molecular weight of 188.16 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-oxo-1H-quinoline-3-carbonitrile is sourced from PubChem (CID 22690302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).